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19982-07-1

Basic Information
CAS No.: 19982-07-1
Name: 1-Actamido-3,5-dimethyladmantane
Molecular Structure:
Molecular Structure of 19982-07-1 (1-Actamido-3,5-dimethyladmantane)
Formula: C14H23NO
Molecular Weight: 221.34
Synonyms: Acetamide,N-(3,5-dimethyl-1-adamantyl)- (7CI,8CI);1-Acetylamino-3,5-dimethyladamantane;N-(3,5-Dimethyl-1-adamantyl)-acetamide;
EINECS: 606-412-2
Density: 1.05 g/cm3
Melting Point: 110-111 °C
Boiling Point: 348.5 °C at 760 mmHg
Flash Point: 210 °C
Solubility:
Appearance: White solid
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 29.10000
LogP: 3.26240
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    Chemical Name:1-Acetamido-3,5-Dimethyladamantane Synonym:N-(3,5-Dimethyl-1-adamantyl)-acetamide CAS No:19982-07-1 Molecular Formula:C14H23NO Molecular Weight:221.34 Structural Formula Properties:White

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    The systematic name of 1-Actamido-3,5-dimethyladmantane is N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)acetamide. With the CAS registry number 19982-07-1, it is also named as N-(3,5-Dimethyl-1-adamantyl)-acetamide. The product is an intermediat

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Specification

The systematic name of 1-Actamido-3,5-dimethyladmantane is N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)acetamide. With the CAS registry number 19982-07-1, it is also named as N-(3,5-Dimethyl-1-adamantyl)-acetamide. The product is an intermediate used for preparation of Memantine. In addition, its molecular formula is C14H23NO and molecular weight is 221.34.

The other characteristics of 1-Actamido-3,5-dimethyladmantane can be summarized as: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.82; (6)ACD/BCF (pH 7.4): 77.82; (7)ACD/KOC (pH 5.5): 785.71; (8)ACD/KOC (pH 7.4): 785.71; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 64.5 cm3; (15)Molar Volume: 209.9 cm3; (16)Polarizability: 25.57×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.05 g/cm3; (19)Flash Point: 210 °C; (20)Melting Point: 110-111 °C; (21)Enthalpy of Vaporization: 59.29 kJ/mol; (22)Boiling Point: 348.5 °C at 760 mmHg; (23)Vapour Pressure: 5.02E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(NC12CC3(CC(C1)(CC(C2)C3)C)C)C
(2)InChI: InChI=1/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16)
(3)InChIKey: WVIRSYCDAYUOMJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16)
(5)Std. InChIKey: WVIRSYCDAYUOMJ-UHFFFAOYSA-N